CID 57220994

88951-24-0

Structural Information

Molecular Formula
C11H11F9O2
SMILES
C1CC(CCC1C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F9O2/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h5-6H,1-4H2,(H,21,22)
InChIKey
IVISRMWAKRCKHH-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.06152 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06880 167.1
[M+Na]+ 369.05074 173.3
[M-H]- 345.05424 157.5
[M+NH4]+ 364.09534 178.9
[M+K]+ 385.02468 169.9
[M+H-H2O]+ 329.05878 155.6
[M+HCOO]- 391.05972 168.9
[M+CH3COO]- 405.07537 208.0
[M+Na-2H]- 367.03619 167.5
[M]+ 346.06097 149.5
[M]- 346.06207 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe